4-amino-N,5-dimethyl-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide

C15H18N2OS — CID 61094456

IUPAC4-amino-N,5-dimethyl-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide
SMILESCc1ccccc1CN(C)C(=O)c1cc(N)c(C)s1
InChIInChI=1S/C15H18N2OS/c1-10-6-4-5-7-12(10)9-17(3)15(18)14-8-13(16)11(2)19-14/h4-8H,9,16H2,1-3H3
InChIKeyCPHOLDHSEJIHJE-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.22
Rot. Bonds3

About 4-amino-N,5-dimethyl-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide

4-amino-N,5-dimethyl-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide (PubChem CID 61094456) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 4-amino-N,5-dimethyl-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-N,5-dimethyl-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide
PubChem CID61094456
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name4-amino-N,5-dimethyl-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide
SMILESCc1ccccc1CN(C)C(=O)c1cc(N)c(C)s1
InChIInChI=1S/C15H18N2OS/c1-10-6-4-5-7-12(10)9-17(3)15(18)14-8-13(16)11(2)19-14/h4-8H,9,16H2,1-3H3
InChIKeyCPHOLDHSEJIHJE-UHFFFAOYSA-N
XLogP3.22
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N,5-dimethyl-N-[(2-methylphenyl)methyl]benzamide
CID 62073809
4-amino-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]thiophene-2-carboxamide
CID 61106846
3-amino-N-methyl-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide
CID 61094457
N-[(2-bromophenyl)methyl]-N,4,5-trimethylthiophene-2-carboxamide
CID 60630938
3-amino-4-bromo-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 61094065
N-methyl-N-[(2-methylphenyl)methyl]-5-nitrothiophene-2-carboxamide
CID 18113997
4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethylthiophene-2-carboxamide
CID 61114856
4-amino-3-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 104782446
3-amino-4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 43574048
N,2,4-trimethyl-N-[(2-methylphenyl)methyl]benzamide
CID 134028537
N-[(2-aminophenyl)methyl]-N,2,6-trimethylbenzamide
CID 107999875
4-amino-N-benzyl-5-methyl-N-propan-2-ylthiophene-2-carboxamide
CID 61095288

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,5-dimethyl-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 4-amino-N,5-dimethyl-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide (CID 61094456) is 4-amino-N,5-dimethyl-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-amino-N,5-dimethyl-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 4-amino-N,5-dimethyl-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide is Cc1ccccc1CN(C)C(=O)c1cc(N)c(C)s1.
What is the InChIKey of 4-amino-N,5-dimethyl-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide?
The InChIKey is CPHOLDHSEJIHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-10-6-4-5-7-12(10)9-17(3)15(18)14-8-13(16)11(2)19-14/h4-8H,9,16H2,1-3H3.
What are the key properties of 4-amino-N,5-dimethyl-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide?
4-amino-N,5-dimethyl-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide has a molecular weight of 274.39 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,5-dimethyl-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 61094456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).